| SpectraBase Spectrum ID |
AWPwnLhBSjA |
| Name |
(3S,9S,10R)-(Z,Z)-9,10-Secocholesta-5,7,14-triene-3,9-diol |
| Alternate Name(s) |
(3S,5Z,7Z,9beta,10R)-9,10-secocholesta-5,7,14-triene-3,9-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h10,12,14,18-20,22,24,26,28-29H,6-9,11,13,15-17H2,1-5H3/b21-10-,23-12-/t19-,20-,22+,24-,26+,27-/m1/s1 |
| InChIKey |
WTCHZRZXBNLWRA-KDGUQUQPSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
O[C@@]1(C\C(=C\C=C/2[C@](CC[C@]3(C2=CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])C)(O)[H])[C@@](CC1)(C)[H])[H] |
| SPLASH |
splash10-00lr-7924000000-3ec6aa3f52f5da249cc4 |
| Source of Spectrum |
J-56-3587-21 |
| Wiley ID |
1369742 |
